Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 2/20 | 0.40 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butanol SCHEMBL4436801 | 1.00 | MAP3K7 (0.40) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3773461 | 0.97 | MAP3K7 (0.42) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3773459 | 0.97 | MAP3K7 (0.42) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3787161 | 0.85 | KDM4E (0.38) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3787165 | 0.85 | KDM4E (0.38) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3779512 | 0.77 | KDM4E (0.46) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3779516 | 0.77 | KDM4E (0.46) | MAP3K7TAB1KDM4EALDH1A1GAA | |
| SCHEMBL3776910 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3776908 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3787811 | 0.76 | MCHR1 (0.38) | KDM4EALDH1A1GAAMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | disclosed |